UCSF

ZINC34873141

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 30 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) 3.51 9.73 -12.1 1 5 0 64 397.478 6
Lo Low (pH 4.5-6) 3.51 10.19 -46.19 2 5 1 65 398.486 6

Activity (Go SEA)

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