UCSF

ZINC15073522

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 26 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) 1.72 6.21 -45.15 2 7 1 74 359.45 4
Hi High (pH 8-9.5) 1.72 4.7 -15.3 1 7 0 73 358.442 4

Activity (Go SEA)

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