UCSF

ZINC44685067

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 3.14 8.19 -35.61 2 3 1 30 271.384 4
Lo Low (pH 4.5-6) 3.14 9.4 -106.71 3 3 2 34 272.392 4
Lo Low (pH 4.5-6) 3.14 6.97 -39.85 2 3 1 33 271.384 4

Activity (Go SEA)

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