UCSF

ZINC62954461

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.13 7.48 -40.87 3 2 1 31 261.433 4
Hi High (pH 8-9.5) 2.13 7.18 -1.99 2 2 0 29 260.425 4
Lo Low (pH 4.5-6) 2.13 8.17 -92.74 4 2 2 32 262.441 4

Activity (Go SEA)

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