UCSF

ZINC36915071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.15 7.95 -41.16 3 2 1 37 262.417 4
Hi High (pH 8-9.5) 2.15 7.61 -2.24 2 2 0 35 261.409 4

Activity (Go SEA)

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