UCSF

ZINC03896505

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 27 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) 4.14 -0.26 -10.27 1 6 0 60 358.401 3
Mid Mid (pH 6-8) 0.41 -0.08 -32.65 2 6 1 63 359.409 3

Activity (Go SEA)

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