UCSF

ZINC37333640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 12 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) 2.19 6.21 -37.49 1 2 1 22 204.702 3
Mid Mid (pH 6-8) 2.19 3.81 -4.9 0 2 0 20 203.694 3

Activity (Go SEA)

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