UCSF

ZINC36649372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 23 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) 3.79 7.79 -17.72 1 5 0 60 328.393 5
Hi High (pH 8-9.5) 3.97 5.26 -49.19 0 5 -1 67 327.385 5

Activity (Go SEA)

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