UCSF

ZINC12947734

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 40 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) 6.17 19.79 -35.77 1 7 1 58 534.732 12
Hi High (pH 8-9.5) 6.17 17.26 -11.13 0 7 0 57 533.724 12
Lo Low (pH 4.5-6) 6.17 19.51 -123.64 2 7 2 59 535.74 12

Activity (Go SEA)

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