UCSF

ZINC36990377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 1.47 3.82 -42.27 3 5 1 62 294.419 5
Hi High (pH 8-9.5) 1.47 2.83 -11.06 2 5 0 58 293.411 5
Lo Low (pH 4.5-6) 1.47 5.99 -110.19 4 5 2 63 295.427 5

Activity (Go SEA)

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