UCSF

ZINC01457912

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 26 No

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) 2.86 4.16 -17.38 3 7 0 103 435.665 4
Hi High (pH 8-9.5) 3.31 2.28 -50.23 2 7 -1 107 434.657 4

Activity (Go SEA)

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