UCSF

ZINC62031657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 13 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) 0.42 1.43 -38.65 2 3 1 29 187.307 5
Hi High (pH 8-9.5) 0.42 0.29 -2.54 1 3 0 24 186.299 5
Mid Mid (pH 6-8) 0.42 2.57 -33.04 2 3 1 26 187.307 5
Lo Low (pH 4.5-6) 0.42 3.91 -106.7 3 3 2 30 188.315 5

Activity (Go SEA)

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