UCSF

ZINC37871096

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) 1.28 6.24 -45.65 2 2 1 40 175.255 4
Mid Mid (pH 6-8) 1.28 5.15 -8.48 1 2 0 36 174.247 4

Activity (Go SEA)

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