UCSF

ZINC09320480

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 22 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) 4.61 6.3 -9.01 2 4 0 65 310.378 2
Mid Mid (pH 6-8) 4.12 5.83 -46.74 1 4 -1 64 309.37 3
Lo Low (pH 4.5-6) 4.12 6.25 -15.9 2 4 0 62 310.378 3

Activity (Go SEA)

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