UCSF

ZINC37107074

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.51 10.13 -45.98 2 3 1 34 268.384 3
Hi High (pH 8-9.5) 2.51 9.15 -5.89 1 3 0 30 267.376 3
Mid Mid (pH 6-8) 2.51 10.87 -102.46 3 3 2 36 269.392 3

Activity (Go SEA)

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