UCSF

ZINC24750771

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 28 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) 3.58 11.5 -19.7 1 6 0 84 385.452 4
Hi High (pH 8-9.5) 3.65 10.59 -45.53 0 6 -1 90 384.444 4

Activity (Go SEA)

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