UCSF

ZINC44864553

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 1.04 2.04 -38.95 5 6 1 92 271.385 7
Hi High (pH 8-9.5) 1.23 0.94 -36.57 4 6 0 98 270.377 7

Activity (Go SEA)

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