UCSF

ZINC01425523

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 21 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) 3.43 8.31 -10.22 2 4 0 53 279.343 3
Mid Mid (pH 6-8) 3.43 8.21 -23.22 3 4 1 54 280.351 3

Activity (Go SEA)

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