UCSF

ZINC34474905

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 0.81 6.59 -39.18 1 4 1 44 221.28 4
Hi High (pH 8-9.5) 0.81 4.08 -5.79 0 4 0 42 220.272 4

Activity (Go SEA)

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