UCSF

ZINC28902503

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 22 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) 2.15 8.9 -48.5 2 5 1 51 303.361 4
Hi High (pH 8-9.5) 2.15 6.37 -11.52 1 5 0 50 302.353 4

Activity (Go SEA)

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