UCSF

ZINC01241972

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 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) 0.93 7.11 -62.1 1 6 -1 87 326.357 2
Mid Mid (pH 6-8) 1.84 4.12 -150.25 0 6 -2 93 325.349 2

Activity (Go SEA)

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