UCSF

ZINC12308388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 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) 3.07 11.29 -15.46 0 5 0 54 383.536 7
Lo Low (pH 4.5-6) 3.07 11.56 -35.4 1 5 1 55 384.544 7

Activity (Go SEA)

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