UCSF

ZINC39952174

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 22 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) 1.63 5 -43.19 3 5 1 55 304.414 6
Mid Mid (pH 6-8) 1.63 3.36 -42.93 3 5 1 58 304.414 6
Mid Mid (pH 6-8) 1.63 6.34 -109.79 4 5 2 59 305.422 6

Activity (Go SEA)

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