UCSF

ZINC01497671

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 24 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) 4.03 4.27 -13.26 3 6 0 83 392.253 7
Hi High (pH 8-9.5) 4.03 5.04 -51.91 2 6 -1 86 391.245 7

Activity (Go SEA)

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