UCSF

ZINC21812203

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 1.78 1.04 -58.16 4 6 1 92 307.351 4
Mid Mid (pH 6-8) 1.78 1.11 -74.51 3 6 0 94 306.343 4

Activity (Go SEA)

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