UCSF

ZINC02585764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 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) 2.84 3.77 -11.4 1 3 0 42 209.632 0
Mid Mid (pH 6-8) 2.84 4.52 -41.76 0 3 -1 45 208.624 0

Activity (Go SEA)

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