UCSF

ZINC36777403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.33 1.74 -41.59 3 3 1 44 206.313 3
Hi High (pH 8-9.5) 0.33 1.88 -4.35 2 3 0 42 205.305 3
Mid Mid (pH 6-8) 0.33 2.44 -87.84 4 3 2 45 207.321 3
Mid Mid (pH 6-8) 0.33 4.13 -31.47 3 3 1 43 206.313 3

Activity (Go SEA)

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