UCSF

ZINC11321733

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2007 21 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) 3.80 -2.11 -9.64 2 3 0 52 319.43 3
Lo Low (pH 4.5-6) 3.80 8.69 -28.82 3 3 1 53 320.438 3
Lo Low (pH 4.5-6) 3.80 8.68 -34.86 3 3 1 53 320.438 3

Activity (Go SEA)

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