UCSF

ZINC36984204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 1.12 4.62 -92.18 5 4 2 61 257.422 7
Hi High (pH 8-9.5) 1.12 4.3 -40.34 4 4 1 60 256.414 7

Activity (Go SEA)

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