UCSF

ZINC12306037

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 27 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) 1.84 9.81 -46.02 1 5 1 47 366.485 5
Lo Low (pH 4.5-6) 1.84 10.09 -103.84 2 5 2 48 367.493 5

Activity (Go SEA)

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