UCSF

ZINC32445868

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 25 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) 3.67 11.02 -50.93 2 3 1 34 341.45 6
Mid Mid (pH 6-8) 3.67 8.67 -10.74 1 3 0 32 340.442 6

Activity (Go SEA)

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