UCSF

ZINC49750720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 22 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) 1.29 8.28 -98.18 2 6 0 97 301.346 5
Mid Mid (pH 6-8) 1.29 6.02 -58.45 1 6 -1 96 300.338 5

Activity (Go SEA)

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