UCSF

ZINC70647129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2011 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.16 -15.99 -202.33 15 13 3 241 456.513 5
Hi High (pH 8-9.5) -5.16 -16.35 -57.79 13 13 1 238 454.497 5
Hi High (pH 8-9.5) -5.16 -16.91 -53.77 13 13 1 238 454.497 5
Hi High (pH 8-9.5) -5.16 -16.76 -13.7 12 13 0 236 453.489 5
Mid Mid (pH 6-8) -5.16 -15.95 -114.48 14 13 2 240 455.505 5
Mid Mid (pH 6-8) -5.16 -16.39 -134.29 14 13 2 240 455.505 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.