UCSF

ZINC20037054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 36 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) 6.06 14.6 -40.75 2 4 1 33 476.644 6
Mid Mid (pH 6-8) 6.06 12.13 -7.74 1 4 0 32 475.636 6

Activity (Go SEA)

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