UCSF

ZINC02343001

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 28 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) 4.44 10.12 -13.12 1 6 0 68 380.444 8
Mid Mid (pH 6-8) 4.23 10.57 -37.14 1 6 1 70 381.452 7

Activity (Go SEA)

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