UCSF

ZINC22927354

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 1.43 5.95 -87.9 4 5 2 57 316.449 9
Hi High (pH 8-9.5) 1.43 7.6 -45.35 3 5 1 56 315.441 9
Mid Mid (pH 6-8) 1.43 5.42 -48.81 3 5 1 56 315.441 9

Activity (Go SEA)

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