UCSF

ZINC03120137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 25 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) 3.04 3.08 -32.11 3 6 1 92 333.371 4
Hi High (pH 8-9.5) 3.04 2.15 -15.07 2 6 0 90 332.363 4
Mid Mid (pH 6-8) 2.69 3.54 -95.26 4 6 2 86 334.379 6
Mid Mid (pH 6-8) 3.04 3.13 -37.76 3 6 1 92 333.371 4
Lo Low (pH 4.5-6) 3.04 4.05 -86.79 4 6 2 94 334.379 4

Activity (Go SEA)

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