UCSF

ZINC37044371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.65 3.18 -57.03 5 5 1 85 267.312 3
Hi High (pH 8-9.5) 1.65 2.77 -10.2 4 5 0 84 266.304 3

Activity (Go SEA)

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