UCSF

ZINC00128865

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 2.74 -1.58 -7.58 2 3 0 48 250.301 3
Lo Low (pH 4.5-6) 2.74 -1.54 -29 3 3 1 49 251.309 3

Activity (Go SEA)

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