UCSF

ZINC37806181

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.20 -2.55 -45.16 4 7 1 89 285.368 4
Mid Mid (pH 6-8) -1.20 -0.41 -100.31 5 7 2 91 286.376 4

Activity (Go SEA)

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