UCSF

ZINC61840965

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2011 17 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) 0.82 2.62 -49.06 5 4 1 73 230.291 4
Hi High (pH 8-9.5) 0.82 2.25 -10.17 4 4 0 71 229.283 4

Activity (Go SEA)

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