UCSF

ZINC45657754

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 4.61 7.16 -4.33 1 2 0 21 315.891 7
Mid Mid (pH 6-8) 4.61 8.21 -39.11 2 2 1 26 316.899 7

Activity (Go SEA)

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