UCSF

ZINC41055470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 23 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) 3.42 5.9 -33.35 3 5 1 64 308.361 4
Hi High (pH 8-9.5) 3.42 5.47 -13.35 2 5 0 63 307.353 4

Activity (Go SEA)

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