UCSF

ZINC45684593

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 1.97 4.3 -41.82 3 5 1 68 365.317 7
Hi High (pH 8-9.5) 1.97 1.82 -9.23 2 5 0 67 364.309 7

Activity (Go SEA)

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