UCSF

ZINC08379392

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2006 28 No

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) 3.40 9.35 -58.56 0 5 -1 74 380.395 5
Mid Mid (pH 6-8) 3.40 8.6 -14.09 1 5 0 71 381.403 5

Activity (Go SEA)

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