UCSF

ZINC36732141

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) -0.34 2.11 -106.42 4 4 2 45 229.368 7
Mid Mid (pH 6-8) -0.34 0.03 -43.55 3 4 1 43 228.36 7
Mid Mid (pH 6-8) -0.34 2.29 -95.13 4 4 2 45 229.368 7
Lo Low (pH 4.5-6) -0.34 4.37 -200.3 5 4 3 46 230.376 7

Activity (Go SEA)

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