UCSF

ZINC44685318

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 2.87 8.2 -38.55 2 3 1 23 288.459 7
Mid Mid (pH 6-8) 2.87 9.41 -31.06 2 3 1 20 288.459 7
Mid Mid (pH 6-8) 2.87 9.51 -55.83 3 3 0 21 289.467 7
Lo Low (pH 4.5-6) 2.87 10.71 -25.21 4 3 0 25 290.475 7

Activity (Go SEA)

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