UCSF

ZINC20524089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) -0.09 3.59 -174.38 5 4 3 40 255.43 2
Hi High (pH 8-9.5) -0.09 0.44 -35.1 3 4 1 37 253.414 2
Mid Mid (pH 6-8) -0.09 3.58 -182.98 5 4 3 40 255.43 2
Mid Mid (pH 6-8) -0.09 1.11 -100.81 4 4 2 39 254.422 2
Mid Mid (pH 6-8) -0.09 1.23 -101.32 4 4 2 39 254.422 2

Activity (Go SEA)

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