UCSF

ZINC09124622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 Yes

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) 4.10 6.03 -18.43 3 8 0 108 516.392 7
Ref Reference (pH 7) 4.10 5.25 -13.95 3 8 0 108 516.392 7
Hi High (pH 8-9.5) 4.10 6.23 -42.36 2 8 -1 111 515.384 7
Hi High (pH 8-9.5) 3.88 5.46 -57.01 1 8 -1 107 515.384 7

Activity (Go SEA)

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