UCSF

ZINC34681810

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 4.28 12.07 -43.04 2 7 1 68 465.961 5
Hi High (pH 8-9.5) 4.28 10.22 -13.64 1 7 0 67 464.953 5
Mid Mid (pH 6-8) 4.28 12.42 -101.74 3 7 2 69 466.969 5

Activity (Go SEA)

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