UCSF

ZINC36103347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) 1.19 3.89 -9.08 0 4 0 33 240.347 3
Mid Mid (pH 6-8) 1.19 5.88 -45.07 1 4 1 34 241.355 3

Activity (Go SEA)

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