UCSF

ZINC45697622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.32 8.11 -100.28 4 3 2 41 288.435 8
Hi High (pH 8-9.5) 2.32 6.74 -36.83 3 3 1 37 287.427 8

Activity (Go SEA)

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