UCSF

ZINC44685052

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.40 7.67 -36.3 2 2 1 20 259.417 4
Lo Low (pH 4.5-6) 3.40 10.12 -108.28 3 2 2 21 260.425 4
Lo Low (pH 4.5-6) 3.40 9.05 -31.08 2 2 1 16 259.417 4

Activity (Go SEA)

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