UCSF

ZINC11690966

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 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) 2.14 8.98 -25.95 1 8 0 98 369.401 4
Mid Mid (pH 6-8) 2.14 10.13 -22.73 0 8 0 95 368.393 4

Activity (Go SEA)

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