UCSF

ZINC44976024

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 2.97 10.18 -11.27 1 5 0 54 305.385 3
Mid Mid (pH 6-8) 2.97 10.62 -31.48 2 5 1 55 306.393 3

Activity (Go SEA)

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