UCSF

ZINC36156141

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) 3.27 9.46 -99.17 3 3 2 24 309.885 4
Mid Mid (pH 6-8) 3.27 7.24 -40.1 2 3 1 23 308.877 4

Activity (Go SEA)

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