UCSF

ZINC36788381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 31 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) 4.51 13.97 -15.55 1 6 0 73 449.605 8
Hi High (pH 8-9.5) 4.69 12.53 -49.14 0 6 -1 79 448.597 8

Activity (Go SEA)

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