UCSF

ZINC37871265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) 0.11 3.2 -9.84 1 3 0 49 175.235 4
Mid Mid (pH 6-8) 0.11 4.41 -45.58 2 3 1 53 176.243 4

Activity (Go SEA)

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