UCSF

ZINC00352987

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 2.80 -0.49 -15.24 1 4 0 55 316.36 4
Lo Low (pH 4.5-6) 2.80 -0.38 -48.12 2 4 1 56 317.368 4

Activity (Go SEA)

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