UCSF

ZINC34595493

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) 1.11 3.84 -14.01 3 5 0 66 273.123 2
Mid Mid (pH 6-8) 1.81 4.24 -30.09 4 5 1 67 274.131 3

Activity (Go SEA)

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