UCSF

ZINC22787325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 27 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) 2.97 8.38 -44.1 1 6 1 52 369.441 6
Mid Mid (pH 6-8) 2.97 8.42 -42.89 1 6 1 52 369.441 6
Mid Mid (pH 6-8) 2.97 6.1 -10.1 0 6 0 51 368.433 6

Activity (Go SEA)

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