UCSF

ZINC33770505

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 35 No

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) 2.73 8.08 -52.47 0 8 -1 95 478.569 11
Mid Mid (pH 6-8) 2.73 10.48 -70.83 1 8 0 96 479.577 11
Lo Low (pH 4.5-6) 2.73 9.18 -57.3 2 8 1 93 480.585 11

Activity (Go SEA)

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