UCSF

ZINC36803810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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) 2.06 7.33 -42.14 2 4 1 42 251.379 6
Hi High (pH 8-9.5) 2.06 5.21 -7.44 1 4 0 41 250.371 6

Activity (Go SEA)

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