UCSF

ZINC44687204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.98 5.69 -29.53 2 3 1 26 239.383 4
Lo Low (pH 4.5-6) 1.98 7.07 -102.86 3 3 2 30 240.391 4
Lo Low (pH 4.5-6) 1.98 4.67 -33.26 2 3 1 29 239.383 4

Activity (Go SEA)

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