UCSF

ZINC30332002

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 18 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) 2.47 3.17 -10.59 1 5 0 72 354.247 6
Hi High (pH 8-9.5) 2.47 2.81 -41.09 0 5 -1 75 353.239 6

Activity (Go SEA)

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