UCSF

ZINC02404799

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 29 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) 6.18 16.52 -12.26 0 4 0 43 419.315 3
Mid Mid (pH 6-8) 6.18 17.52 -49.42 2 4 1 47 420.323 3

Activity (Go SEA)

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