UCSF

ZINC22694278

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 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) 2.30 4.53 -16.41 2 8 0 83 474.646 10
Mid Mid (pH 6-8) 2.30 6.63 -56.27 3 8 1 84 475.654 10
Lo Low (pH 4.5-6) 2.30 8.7 -105.34 4 8 2 86 476.662 10

Activity (Go SEA)

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