UCSF

ZINC34994830

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) -0.09 2.3 -48.2 2 4 1 40 214.333 4
Hi High (pH 8-9.5) -0.09 1.13 -7.73 1 4 0 36 213.325 4
Mid Mid (pH 6-8) -0.09 3.54 -42.93 2 4 1 37 214.333 4
Mid Mid (pH 6-8) -0.09 4.72 -124.24 3 4 2 41 215.341 4

Activity (Go SEA)

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