UCSF

ZINC10383756

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2007 28 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) 4.35 -3.22 -58.28 3 6 -1 108 388.428 4
Lo Low (pH 4.5-6) 4.35 -3.11 -75.71 4 6 0 109 389.436 4

Activity (Go SEA)

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