UCSF

ZINC03909805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 22 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) 4.12 0.22 -11.19 1 4 0 42 295.386 3
Mid Mid (pH 6-8) 0.38 0.4 -25.29 2 4 1 45 296.394 3

Activity (Go SEA)

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