UCSF

ZINC12080344

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 27 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) 0.45 0.81 -39.96 1 9 1 93 378.453 4
Mid Mid (pH 6-8) 0.45 1.04 -114.58 2 9 2 94 379.461 4

Activity (Go SEA)

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