UCSF

ZINC20215752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 27 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) 3.95 9.04 -36.7 0 5 -1 61 463.764 3
Lo Low (pH 4.5-6) 3.50 10.11 -9.24 1 5 0 58 464.772 3

Activity (Go SEA)

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