UCSF

ZINC36779655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.57 2.47 -46.69 4 3 1 57 211.26 4
Hi High (pH 8-9.5) 0.57 2.14 -8.98 3 3 0 55 210.252 4

Activity (Go SEA)

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