UCSF

ZINC39957299

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 15 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) 1.96 5.13 -39.88 2 2 1 20 203.309 1
Hi High (pH 8-9.5) 1.96 3.76 -2.17 1 2 0 15 202.301 1
Hi High (pH 8-9.5) 1.96 5.62 -29.23 2 2 1 16 203.309 1

Activity (Go SEA)

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