UCSF

ZINC33862558

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 29 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) 1.98 2.95 -18.79 2 8 0 96 391.431 5
Lo Low (pH 4.5-6) 1.98 5.15 -57.79 3 8 1 98 392.439 5

Activity (Go SEA)

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