UCSF

ZINC69191385

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 23 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) 1.66 8.31 -50.17 1 7 1 64 310.385 3
Mid Mid (pH 6-8) 1.66 6.09 -8.66 0 7 0 62 309.377 3

Activity (Go SEA)

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