UCSF

ZINC27427904

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 18 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) -0.66 4.64 -83.31 4 5 0 97 256.346 7

Activity (Go SEA)

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