UCSF

ZINC21504314

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 1.28 2.45 -42.29 4 5 1 77 312.459 5
Mid Mid (pH 6-8) 1.28 1.18 -55.11 4 5 1 80 312.459 5

Activity (Go SEA)

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