UCSF

ZINC09328608

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 33 No

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) 1.51 6.29 -62.81 1 12 -1 182 456.387 10
Mid Mid (pH 6-8) 1.95 5.64 -25.98 2 12 0 179 457.395 9

Activity (Go SEA)

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