UCSF

ZINC00101039

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 5.14 5.78 -5.43 1 2 0 33 300.572 2
Ref Reference (pH 7) 5.14 7 -5.11 1 2 0 33 300.572 2
Mid Mid (pH 6-8) 5.14 7.77 -36.59 0 2 -1 35 299.564 2
Mid Mid (pH 6-8) 5.14 6.56 -29.96 0 2 -1 35 299.564 2

Activity (Go SEA)

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