UCSF

ZINC41527143

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 No

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) 2.30 7.75 -11.18 1 6 0 88 289.316 4
Hi High (pH 8-9.5) 2.48 6.77 -36.3 0 6 -1 94 288.308 4

Activity (Go SEA)

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