UCSF

ZINC28364153

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 37 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) 4.12 14.83 -53.41 2 6 1 68 496.631 13
Mid Mid (pH 6-8) 4.12 13.44 -14.03 1 6 0 64 495.623 13
Lo Low (pH 4.5-6) 4.12 15.21 -118.62 3 6 2 70 497.639 13

Activity (Go SEA)

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