UCSF

ZINC36142307

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 1.38 2.65 -6.9 2 4 0 62 207.229 2
Mid Mid (pH 6-8) 1.38 2.9 -45.67 3 4 1 63 208.237 2

Activity (Go SEA)

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