UCSF

ZINC00187432

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 5.47 8.77 -12.09 1 3 0 45 304.374 1
Hi High (pH 8-9.5) 4.61 8.93 -51.57 0 3 -1 48 303.366 2

Activity (Go SEA)

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