UCSF

ZINC06752974

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 29 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) 4.61 7.98 -13.84 2 6 0 78 391.471 7
Mid Mid (pH 6-8) 4.61 8.74 -53.17 1 6 -1 81 390.463 7

Activity (Go SEA)

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