UCSF

ZINC34958718

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 4.14 7.11 -40.18 4 3 1 61 310.204 5
Hi High (pH 8-9.5) 1.41 7.78 -10.78 4 3 0 61 309.196 5

Activity (Go SEA)

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