UCSF

ZINC37196265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.51 5.77 -33.55 2 3 1 26 241.399 6
Lo Low (pH 4.5-6) 2.51 6.84 -98.97 3 3 2 30 242.407 6
Lo Low (pH 4.5-6) 2.51 4.58 -33.21 2 3 1 29 241.399 6

Activity (Go SEA)

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