UCSF

ZINC27092048

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 19 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) 1.21 2.7 -22.91 2 6 0 88 263.297 4
Mid Mid (pH 6-8) 1.67 1.57 -50.17 1 6 -1 91 262.289 4

Activity (Go SEA)

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