UCSF

ZINC06587454

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 20 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) 4.13 9.68 -40.67 2 2 1 26 268.38 7
Mid Mid (pH 6-8) 4.13 8.57 -4.95 1 2 0 21 267.372 7

Activity (Go SEA)

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