UCSF

ZINC23410568

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 32 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) 4.58 6.98 -30.26 2 8 0 108 524.437 8
Hi High (pH 8-9.5) 4.58 7.42 -76.24 1 8 -1 111 523.429 8

Activity (Go SEA)

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