UCSF

ZINC04213829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 31 No

CAS Number: 5015-36-1

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) 1.40 -1.85 -141.32 2 8 -2 147 452.44 4

Activity (Go SEA)

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