UCSF

ZINC45665968

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.99 6.37 -107.16 4 3 2 35 259.482 11
Hi High (pH 8-9.5) 2.99 3.84 -42.43 3 3 1 34 258.474 11
Lo Low (pH 4.5-6) 2.99 7.89 -218.61 5 3 3 37 260.49 11

Activity (Go SEA)

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