UCSF

ZINC34677256

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 2.29 2.25 -43.83 3 7 1 83 379.525 8
Mid Mid (pH 6-8) 2.29 -0.01 -8.42 2 7 0 82 378.517 8
Lo Low (pH 4.5-6) 2.29 2.22 -43.3 3 7 1 83 379.525 8

Activity (Go SEA)

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