UCSF

ZINC34991136

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 1.76 2.17 -6.76 1 5 0 43 359.264 7
Mid Mid (pH 6-8) 1.76 3.52 -44.59 2 5 1 48 360.272 7
Lo Low (pH 4.5-6) 1.76 4.42 -40.7 2 5 1 44 360.272 7

Activity (Go SEA)

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