UCSF

ZINC13555442

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 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) 3.89 8.91 -10.04 1 3 0 46 262.312 2
Hi High (pH 8-9.5) 4.35 7.53 -47.8 0 3 -1 49 261.304 2

Activity (Go SEA)

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