UCSF

ZINC37248748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.17 6.4 -37.31 2 2 1 16 241.305 3
Mid Mid (pH 6-8) 2.17 5.21 -41.37 2 2 1 20 241.305 3
Lo Low (pH 4.5-6) 2.17 7.59 -108.56 3 2 2 21 242.313 3

Activity (Go SEA)

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