UCSF

ZINC36780071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 1.80 9.31 -90.3 1 5 0 62 259.309 2
Mid Mid (pH 6-8) 1.80 9.79 -116.96 2 5 1 64 260.317 2

Activity (Go SEA)

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