UCSF

ZINC37025524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 11 No

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) 1.55 2.18 -4.97 2 3 0 48 172.253 4
Lo Low (pH 4.5-6) 1.55 2.64 -26.5 3 3 1 49 173.261 4

Activity (Go SEA)

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