UCSF

ZINC38024705

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 13 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) 0.27 4.29 -43.97 1 4 0 48 188.271 7
Mid Mid (pH 6-8) 0.27 4.6 -57.28 1 4 0 48 188.271 7
Mid Mid (pH 6-8) 0.27 6.76 -100.3 2 4 1 49 189.279 7

Activity (Go SEA)

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