UCSF

ZINC32836165

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 20 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) 2.84 8.04 -53.28 2 4 1 46 310.83 5
Mid Mid (pH 6-8) 2.66 6.97 -36.72 1 4 0 53 309.822 5

Activity (Go SEA)

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