UCSF

ZINC00549514

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 2.81 8.86 -12.06 1 4 0 47 265.316 3
Lo Low (pH 4.5-6) 2.99 7.18 -31.26 2 4 1 52 266.324 3
Lo Low (pH 4.5-6) 2.81 9.34 -36.73 2 4 1 48 266.324 3

Activity (Go SEA)

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