UCSF

ZINC21537926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 26 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) 1.58 10.04 -51.44 1 6 1 55 350.446 2
Mid Mid (pH 6-8) 1.58 7.64 -9.84 0 6 0 54 349.438 2

Activity (Go SEA)

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