UCSF

ZINC44121057

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 1.90 5.08 -36.12 2 3 1 28 263.405 4
Mid Mid (pH 6-8) 1.91 5.6 -31.23 2 3 1 28 263.405 4

Activity (Go SEA)

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