UCSF

ZINC37112917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.81 8.26 -105.49 4 2 2 32 262.441 4
Mid Mid (pH 6-8) 1.81 8.29 -30.87 3 2 1 30 261.433 4
Mid Mid (pH 6-8) 1.81 6.87 -37.93 3 2 1 31 261.433 4

Activity (Go SEA)

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