UCSF

ZINC31862452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 1.29 3.57 -57.14 2 7 -1 116 281.288 6
Hi High (pH 8-9.5) 1.29 3.72 -102.16 1 7 -2 114 280.28 6

Activity (Go SEA)

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