UCSF

ZINC12302311

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 1.90 12.01 -44.26 1 5 1 43 367.517 4
Mid Mid (pH 6-8) 1.90 12.47 -97.94 2 5 2 44 368.525 4

Activity (Go SEA)

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