UCSF

ZINC70117624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 19 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) 2.95 5.82 -54.97 3 4 1 58 253.329 2
Hi High (pH 8-9.5) 2.95 5.58 -9.76 2 4 0 57 252.321 2

Activity (Go SEA)

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

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