UCSF

ZINC12582315

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 32 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) 3.76 9.02 -57.08 0 6 -1 73 498.397 7
Mid Mid (pH 6-8) 4.20 10.27 -59.31 2 6 1 71 500.413 6
Mid Mid (pH 6-8) 3.76 11.34 -75.39 1 6 0 74 499.405 7

Activity (Go SEA)

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