UCSF

ZINC17102728

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 31 Yes

CAS Number:

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) 5.60 13.85 -12.42 1 5 0 60 438.641 7

Activity (Go SEA)

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