UCSF

ZINC13624291

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 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) 3.21 5.79 -10.15 1 6 0 67 343.456 5
Mid Mid (pH 6-8) 3.21 8.06 -42.37 2 6 1 68 344.464 5

Activity (Go SEA)

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