UCSF

ZINC34959150

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 1.85 7.14 -51.76 2 5 1 72 253.322 8
Hi High (pH 8-9.5) 1.85 5.94 -7.63 1 5 0 67 252.314 8

Activity (Go SEA)

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