UCSF

ZINC70536237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 19 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) 3.20 8.59 -34.96 3 3 1 40 261.389 8
Hi High (pH 8-9.5) 3.20 6.49 -3.14 2 3 0 38 260.381 8

Activity (Go SEA)

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