UCSF

ZINC08934489

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 30 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) 3.94 11.53 -19.06 2 6 0 91 439.562 7
Mid Mid (pH 6-8) 4.28 -0.05 -12.02 1 6 0 91 439.562 7
Mid Mid (pH 6-8) 4.46 -1.09 -13.52 1 6 0 91 439.562 7

Activity (Go SEA)

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