UCSF

ZINC01054108

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 22 No

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) 5.17 6.35 -12.92 2 5 0 71 428.08 4
Hi High (pH 8-9.5) 5.17 7.35 -53.54 1 5 -1 74 427.072 4

Activity (Go SEA)

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