UCSF

ZINC39885558

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.82 12.18 -16.17 1 5 0 64 435.574 7
Hi High (pH 8-9.5) 5.88 10.5 -50.53 0 5 -1 70 434.566 7

Activity (Go SEA)

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