UCSF

ZINC19402049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 1.79 5.44 -89.55 4 3 2 35 267.392 5
Hi High (pH 8-9.5) 1.79 2.74 -4.73 2 3 0 32 265.376 5
Mid Mid (pH 6-8) 1.79 5.48 -91.83 4 3 2 35 267.392 5
Mid Mid (pH 6-8) 1.79 3.13 -49.5 3 3 1 34 266.384 5

Activity (Go SEA)

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