UCSF

ZINC26829300

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 22 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) -2.29 -5.3 -49.58 8 9 1 158 316.382 9
Mid Mid (pH 6-8) -2.29 -5.58 -12.3 7 9 0 156 315.374 9

Activity (Go SEA)

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