UCSF

ZINC45932977

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 23 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) 3.33 11.03 -11.74 0 5 0 55 307.353 5
Lo Low (pH 4.5-6) 3.33 11.49 -36.63 1 5 1 57 308.361 5

Activity (Go SEA)

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