UCSF

ZINC70613188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 0.63 1.39 -54.9 3 4 1 65 235.373 4
Hi High (pH 8-9.5) 0.63 0.99 -7.96 2 4 0 63 234.365 4

Activity (Go SEA)

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