UCSF

ZINC37134810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 3.53 2.48 -8.09 3 4 0 62 314.168 4
Mid Mid (pH 6-8) 3.53 3.23 -35.62 2 4 -1 65 313.16 4

Activity (Go SEA)

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