UCSF

ZINC16247711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 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) 4.95 8.75 -4.22 0 3 0 22 319.489 6
Mid Mid (pH 6-8) 4.95 11.13 -40.96 1 3 1 23 320.497 6

Activity (Go SEA)

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