UCSF

ZINC42718113

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 0.18 4.76 -56.7 1 6 0 83 227.264 7
Hi High (pH 8-9.5) 0.18 2.43 -49.42 0 6 -1 82 226.256 7

Activity (Go SEA)

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