UCSF

ZINC37322057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 3.68 6.83 -41.71 2 2 1 20 357.259 3
Hi High (pH 8-9.5) 3.68 5.81 -2.08 1 2 0 15 356.251 3
Lo Low (pH 4.5-6) 3.68 8.32 -34.54 2 2 1 16 357.259 3

Activity (Go SEA)

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