UCSF

ZINC04611017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 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) 5.14 7.67 -8.6 2 6 0 95 361.568 3
Hi High (pH 8-9.5) 5.14 8.67 -42.8 1 6 -1 98 360.56 3

Activity (Go SEA)

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