UCSF

ZINC34949620

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 24 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) 3.81 10.22 -41.59 3 4 1 58 340.369 3
Hi High (pH 8-9.5) 3.81 10.24 -5.78 2 4 0 56 339.361 3

Activity (Go SEA)

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