UCSF

ZINC34463199

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.80 5.12 -14.14 1 4 0 54 210.24 1
Hi High (pH 8-9.5) 1.80 4.69 -43.02 0 4 -1 53 209.232 1
Lo Low (pH 4.5-6) 1.80 6.44 -175.82 4 4 3 58 213.264 0

Activity (Go SEA)

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