UCSF

ZINC45246074

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 27 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) 1.52 12.21 -91.01 1 8 0 96 365.393 3
Mid Mid (pH 6-8) 1.52 11.88 -66.45 0 8 -1 94 364.385 3
Lo Low (pH 4.5-6) -2.07 10.76 -68.06 2 8 1 99 366.401 2

Activity (Go SEA)

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