UCSF

ZINC36952057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.97 7.07 -6.18 2 2 0 32 283.758 3
Hi High (pH 8-9.5) 4.97 7.83 -38.94 1 2 -1 35 282.75 3

Activity (Go SEA)

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