UCSF

ZINC19991629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 4.79 10.86 -109.55 3 2 2 21 282.516 7
Mid Mid (pH 6-8) 4.79 8.72 -34.35 2 2 1 20 281.508 7

Activity (Go SEA)

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