UCSF

ZINC36857500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 0.30 8.42 -36.68 1 6 0 70 358.236 4
Mid Mid (pH 6-8) 0.30 6.29 -47.13 0 6 -1 69 357.228 4

Activity (Go SEA)

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