UCSF

ZINC33774498

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 27 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) 6.50 13.43 -19 1 4 0 51 380.513 8
Hi High (pH 8-9.5) 6.02 12.52 -52.87 0 4 -1 58 379.505 8

Activity (Go SEA)

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