UCSF

ZINC69616880

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 24 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) 1.57 5.81 -78.77 3 5 1 68 350.439 7
Hi High (pH 8-9.5) 1.57 3.67 -23.01 2 5 0 67 349.431 7

Activity (Go SEA)

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