UCSF

ZINC36305409

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 0.43 1.27 -40.4 3 3 1 40 187.307 3
Hi High (pH 8-9.5) 0.43 0.8 -1.53 2 3 0 38 186.299 3
Mid Mid (pH 6-8) 0.43 2.77 -116.31 4 3 2 41 188.315 3

Activity (Go SEA)

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