UCSF

ZINC36893488

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) 2.07 8.99 -90.12 1 5 0 62 261.325 5
Hi High (pH 8-9.5) 2.07 6.53 -55.05 0 5 -1 61 260.317 5
Lo Low (pH 4.5-6) 2.07 9.28 -111.48 2 5 1 64 262.333 5

Activity (Go SEA)

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