UCSF

ZINC34991933

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 Yes

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) 2.68 6.57 -39.43 2 4 1 38 358.3 7
Mid Mid (pH 6-8) 2.68 8.38 -112.65 3 4 2 40 359.308 7
Mid Mid (pH 6-8) 2.68 6.99 -32.2 2 4 1 35 358.3 7

Activity (Go SEA)

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