UCSF

ZINC03351739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 35 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) 3.13 9.62 -26.65 2 8 0 102 490.585 7
Hi High (pH 8-9.5) 3.13 10.12 -70.29 1 8 -1 104 489.577 7

Activity (Go SEA)

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