UCSF

ZINC33716845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 17 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) 1.32 2.11 -42.25 0 5 -1 67 256.303 3
Mid Mid (pH 6-8) 1.32 1.94 -10.99 1 5 0 65 257.311 3

Activity (Go SEA)

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