UCSF

ZINC13635092

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 26 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) 2.66 6.62 -20.03 2 9 0 129 354.322 5
Mid Mid (pH 6-8) 3.57 5.09 -49.98 1 9 -1 136 353.314 5
Mid Mid (pH 6-8) 3.12 4.88 -38.54 1 9 -1 132 353.314 5
Mid Mid (pH 6-8) 3.57 3.99 -45.14 1 9 -1 136 353.314 5

Activity (Go SEA)

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