UCSF

ZINC36931671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 2.65 9.03 -35.29 2 3 1 37 291.459 7
Hi High (pH 8-9.5) 2.65 9.3 -9.67 1 3 0 32 290.451 7

Activity (Go SEA)

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