UCSF

ZINC05671028

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 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) 3.30 7.88 -59.01 1 4 -1 69 325.182 3
Lo Low (pH 4.5-6) 3.30 6.54 -12.56 2 4 0 66 326.19 3

Activity (Go SEA)

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