UCSF

ZINC36161329

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 No

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) -0.56 0.23 -53 1 4 1 51 192.26 2
Mid Mid (pH 6-8) -0.56 -2.3 -12.84 0 4 0 50 191.252 2

Activity (Go SEA)

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