UCSF

ZINC04097648

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 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) 1.29 3.31 -46.46 2 5 1 52 302.35 1
Mid Mid (pH 6-8) 1.29 0.8 -8.44 1 5 0 51 301.342 1

Activity (Go SEA)

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