UCSF

ZINC44684503

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) 2.08 5.64 -42.71 2 4 1 38 289.399 4
Lo Low (pH 4.5-6) 2.08 8.05 -115.11 3 4 2 40 290.407 4
Lo Low (pH 4.5-6) 2.08 7.12 -35.1 2 4 1 35 289.399 4

Activity (Go SEA)

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