UCSF

ZINC12462178

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 33 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) 7.09 13.82 -11.03 0 4 0 38 502.456 5
Mid Mid (pH 6-8) 7.09 15.99 -46.65 1 4 1 39 503.464 5
Mid Mid (pH 6-8) 7.09 16.13 -43.99 1 4 1 39 503.464 5

Activity (Go SEA)

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