UCSF

ZINC22174359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 1.69 4.52 -103.95 4 4 2 48 318.259 5
Mid Mid (pH 6-8) 1.69 2.15 -49.48 3 4 1 47 317.251 5

Activity (Go SEA)

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