UCSF

ZINC36807370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 31 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) 4.03 11.96 -15.63 1 7 0 86 450.593 8
Hi High (pH 8-9.5) 4.21 10.53 -46.48 0 7 -1 92 449.585 8

Activity (Go SEA)

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