UCSF

ZINC36932566

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) 2.29 6.1 -36.27 2 3 1 29 283.461 5
Hi High (pH 8-9.5) 2.29 5.27 -3.49 1 3 0 24 282.453 5
Lo Low (pH 4.5-6) 2.29 8 -120.03 3 3 2 30 284.469 5

Activity (Go SEA)

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