UCSF

ZINC02721246

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 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) 2.57 7.86 -11.25 1 4 0 47 279.343 4
Mid Mid (pH 6-8) 2.57 8.36 -31.15 2 4 1 48 280.351 4

Activity (Go SEA)

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