UCSF

ZINC20000316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 2.84 5.71 -59.51 0 5 -1 59 322.797 3
Lo Low (pH 4.5-6) 2.84 6.11 -63.46 1 5 0 61 323.805 3

Activity (Go SEA)

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