UCSF

ZINC09129257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 31 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) 4.50 0.97 -11.48 0 7 0 71 459.333 7
Mid Mid (pH 6-8) 4.50 1.33 -49.98 1 7 1 72 460.341 7

Activity (Go SEA)

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