UCSF

ZINC21518457

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 21 Yes

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) 4.64 6.69 -43.33 3 3 1 46 306.813 5
Hi High (pH 8-9.5) 4.64 7.48 -51.58 2 3 0 49 305.805 5
Hi High (pH 8-9.5) 4.64 5.52 -7.17 2 3 0 41 305.805 5

Activity (Go SEA)

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