UCSF

ZINC37080672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.35 3.94 -51.14 3 2 1 31 227.278 4
Mid Mid (pH 6-8) 1.35 5.44 -132.91 4 2 2 32 228.286 4

Activity (Go SEA)

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