UCSF

ZINC37000261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 No

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) 1.54 4.63 -44.48 3 4 1 55 267.374 5
Mid Mid (pH 6-8) 1.54 3.25 -7.88 2 4 0 50 266.366 5

Activity (Go SEA)

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