UCSF

ZINC45618977

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.39 3.37 -33.11 2 3 1 28 215.361 6
Hi High (pH 8-9.5) 1.39 1.11 -2.74 1 3 0 27 214.353 6

Activity (Go SEA)

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