UCSF

ZINC34681612

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 3.37 12.18 -50.13 2 6 1 63 456.492 6
Hi High (pH 8-9.5) 3.37 10.31 -11.78 1 6 0 61 455.484 6
Lo Low (pH 4.5-6) 3.37 12.51 -111.35 3 6 2 64 457.5 6

Activity (Go SEA)

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