UCSF

ZINC34677072

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) 1.23 1.78 -43.57 3 7 1 83 373.477 8
Mid Mid (pH 6-8) 1.23 -0.48 -8.87 2 7 0 82 372.469 8
Lo Low (pH 4.5-6) 1.23 1.76 -43.06 3 7 1 83 373.477 8

Activity (Go SEA)

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