UCSF

ZINC58150211

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 22 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) 3.48 6.82 -40.7 2 4 1 51 329.461 7
Hi High (pH 8-9.5) 3.48 4.93 -8.5 1 4 0 49 328.453 7

Activity (Go SEA)

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