UCSF

ZINC09244328

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 36 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) 2.97 9.65 -71.51 1 9 0 102 498.576 12
Hi High (pH 8-9.5) 2.97 7.12 -58.58 0 9 -1 101 497.568 12
Mid Mid (pH 6-8) 2.39 1.89 -54.03 1 9 1 95 499.584 12
Mid Mid (pH 6-8) 3.42 9.18 -48.56 2 9 1 99 499.584 11

Activity (Go SEA)

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