UCSF

ZINC36732234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) 0.95 -0.21 -48.86 5 4 1 74 228.36 6
Hi High (pH 8-9.5) 0.95 1.22 -33.35 5 4 1 74 228.36 6

Activity (Go SEA)

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