UCSF

ZINC37793247

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.02 7.55 -56.26 1 6 -1 85 274.3 4
Mid Mid (pH 6-8) 1.02 7.82 -54.61 2 6 0 87 275.308 4
Lo Low (pH 4.5-6) 1.02 5.74 -32.99 3 6 1 84 276.316 4

Activity (Go SEA)

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