UCSF

ZINC22932546

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 1.03 6.93 -39.74 2 7 1 68 374.509 8
Hi High (pH 8-9.5) 1.03 4.85 -11.62 1 7 0 67 373.501 8
Mid Mid (pH 6-8) 1.03 7.08 -45.63 2 7 1 68 374.509 8

Activity (Go SEA)

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