UCSF

ZINC31909623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 32 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) 4.22 13.32 -9.74 2 9 0 94 436.516 9
Mid Mid (pH 6-8) 4.22 13.59 -33.48 3 9 1 95 437.524 9
Lo Low (pH 4.5-6) 4.22 13.62 -36.18 3 9 1 95 437.524 9

Activity (Go SEA)

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