UCSF

ZINC36789374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 2.24 7.2 -40.06 1 4 0 58 225.288 6
Hi High (pH 8-9.5) 2.24 5.8 -50.89 0 4 -1 57 224.28 6

Activity (Go SEA)

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