UCSF

ZINC32206773

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 18 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) 1.81 3.37 -6.32 2 3 0 45 307.191 5
Lo Low (pH 4.5-6) 1.81 3.81 -37.88 3 3 1 46 308.199 5

Activity (Go SEA)

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