UCSF

ZINC36189988

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 1.81 7.42 -40.26 2 4 1 37 288.415 2
Mid Mid (pH 6-8) 1.81 5.05 -8.71 1 4 0 36 287.407 2

Activity (Go SEA)

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