UCSF

ZINC06729198

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 26 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) 3.53 7.83 -15.57 2 5 0 67 367.474 8
Lo Low (pH 4.5-6) 3.53 8.31 -34.36 3 5 1 68 368.482 8

Activity (Go SEA)

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