UCSF

ZINC00252926

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 0.18 1.5 -17.55 3 7 0 112 331.353 4
Hi High (pH 8-9.5) 1.08 -0.65 -52.48 2 7 -1 115 330.345 4

Activity (Go SEA)

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