UCSF

ZINC36786923

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.41 2.09 -38.7 3 2 1 31 173.324 4
Mid Mid (pH 6-8) 1.41 3.58 -24.87 3 2 1 30 173.324 4
Mid Mid (pH 6-8) 1.41 4.02 -109.18 4 2 2 32 174.332 4

Activity (Go SEA)

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