UCSF

ZINC27756684

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 22 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) 4.52 9.08 -19.28 1 4 0 51 377.263 4
Hi High (pH 8-9.5) 4.70 8.02 -46.76 0 4 -1 58 376.255 4

Activity (Go SEA)

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