UCSF

ZINC37256077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 3.56 8.16 -34.18 2 2 1 16 345.248 3
Mid Mid (pH 6-8) 3.56 6.78 -41.23 2 2 1 20 345.248 3

Activity (Go SEA)

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