UCSF

ZINC36357806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 25 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) 2.91 7.11 -10.53 1 5 0 60 337.354 3
Ref Reference (pH 7) 2.73 9.78 -10.95 1 5 0 56 337.354 3
Mid Mid (pH 6-8) 2.73 10.23 -46.97 2 5 1 57 338.362 3

Activity (Go SEA)

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