UCSF

ZINC40774692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 23 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) 1.66 5.66 -12.45 0 5 0 44 333.457 2
Mid Mid (pH 6-8) 1.66 7.87 -50.47 1 5 1 45 334.465 2

Activity (Go SEA)

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