UCSF

ZINC11687091

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) 3.42 10.85 -13.96 1 6 0 80 366.465 7
Mid Mid (pH 6-8) 3.42 11.25 -30.55 2 6 1 81 367.473 7

Activity (Go SEA)

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