UCSF

ZINC13567261

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 30 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
Mid Mid (pH 6-8) 3.49 8.45 -12.52 2 7 0 93 423.494 6
Mid Mid (pH 6-8) 3.49 7.91 -18.48 2 7 0 93 423.494 6

Activity (Go SEA)

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