UCSF

ZINC37987003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) -2.08 -2.53 -49.03 6 9 1 138 269.285 4
Mid Mid (pH 6-8) -1.62 -4.19 -62.24 5 9 0 141 268.277 4

Activity (Go SEA)

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