UCSF

ZINC38003369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.04 9.03 -54.27 2 2 1 40 322.251 4
Mid Mid (pH 6-8) 4.04 7.8 -6.37 1 2 0 36 321.243 4

Activity (Go SEA)

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