UCSF

ZINC42461814

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -1.01 6.46 -45.12 1 7 0 92 268.317 4
Mid Mid (pH 6-8) -1.01 4.32 -52.81 0 7 -1 91 267.309 4

Activity (Go SEA)

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