UCSF

ZINC34681643

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 5.06 14.15 -42.69 2 5 1 50 449.644 6
Hi High (pH 8-9.5) 5.06 12.28 -9.97 1 5 0 48 448.636 6
Lo Low (pH 4.5-6) 5.06 14.46 -98.6 3 5 2 51 450.652 6

Activity (Go SEA)

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