UCSF

ZINC28901403

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 26 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) 2.13 8.88 -71.2 1 6 -1 90 357.43 6
Lo Low (pH 4.5-6) 2.13 7.76 -21.18 2 6 0 87 358.438 6

Activity (Go SEA)

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