UCSF

ZINC32908037

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 30 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) 1.93 3.39 -26.01 2 8 0 113 459.496 6
Mid Mid (pH 6-8) 1.93 3.45 -55.29 1 8 -1 115 458.488 6

Activity (Go SEA)

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