UCSF

ZINC41677812

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 4.01 6.32 -5.65 1 2 0 36 299.237 3
Lo Low (pH 4.5-6) 4.01 7.53 -43.95 2 2 1 40 300.245 3

Activity (Go SEA)

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