UCSF

ZINC44685774

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 2.12 8.33 -73.6 3 3 2 21 267.461 5
Lo Low (pH 4.5-6) 2.12 9.39 -183.21 4 3 3 25 268.469 5
Lo Low (pH 4.5-6) 2.12 6.93 -95.7 3 3 2 24 267.461 5

Activity (Go SEA)

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