UCSF

ZINC32107409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 1.40 5.47 -50.22 0 5 -1 68 251.258 5
Lo Low (pH 4.5-6) 1.40 4.34 -13.45 1 5 0 65 252.266 5

Activity (Go SEA)

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