UCSF

ZINC34681555

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 4.21 10.7 -11.71 1 5 0 48 420.944 6
Mid Mid (pH 6-8) 4.21 12.92 -41.85 2 5 1 50 421.952 6
Mid Mid (pH 6-8) 4.21 11.05 -37.51 2 5 1 50 421.952 6
Lo Low (pH 4.5-6) 4.21 13.28 -101.17 3 5 2 51 422.96 6

Activity (Go SEA)

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