UCSF

ZINC02726987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 28 No

Download: MOL2 SDF SMILES Flexibase

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) 5.74 9.06 -10.4 2 5 0 75 394.496 6
Hi High (pH 8-9.5) 6.20 7.31 -44.36 1 5 -1 78 393.488 6
Hi High (pH 8-9.5) 6.20 7.8 -43.12 1 5 -1 78 393.488 6
Mid Mid (pH 6-8) 5.25 9.42 -44.17 1 5 -1 74 393.488 7

Activity (Go SEA)

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