UCSF

ZINC08984997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 30 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) 4.68 8.97 -25.37 2 8 0 121 438.49 6
Hi High (pH 8-9.5) 5.14 7.73 -54.23 1 8 -1 124 437.482 6

Activity (Go SEA)

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