UCSF

ZINC00186318

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 4.19 -4.12 -7.33 1 3 0 46 346.633 3
Hi High (pH 8-9.5) 4.19 -3.54 -33.6 0 3 -1 48 345.625 3

Activity (Go SEA)

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