UCSF

ZINC11842665

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 27 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) 4.65 12.09 -39.48 2 4 1 38 365.545 4
Mid Mid (pH 6-8) 4.65 10.34 -8.91 1 4 0 37 364.537 4

Activity (Go SEA)

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