UCSF

ZINC37007043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.42 0.07 -57.76 6 5 1 100 272.275 5
Hi High (pH 8-9.5) 0.42 -0.22 -10.11 5 5 0 98 271.267 5

Activity (Go SEA)

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