UCSF

ZINC37079890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.48 4.21 -113.5 4 4 2 51 242.363 3
Hi High (pH 8-9.5) 0.48 3.97 -30.17 3 4 1 49 241.355 3
Mid Mid (pH 6-8) 0.48 2.27 -40.05 3 4 1 49 241.355 3

Activity (Go SEA)

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