UCSF

ZINC37214761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 0.25 6.19 -49.86 2 4 1 46 263.361 6
Hi High (pH 8-9.5) 0.25 5.31 -7.04 1 4 0 42 262.353 6

Activity (Go SEA)

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