UCSF

ZINC37109941

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.69 2.12 -95.49 4 3 2 41 176.304 6
Hi High (pH 8-9.5) 0.69 0.68 -31.26 3 3 1 37 175.296 6
Mid Mid (pH 6-8) 0.69 2.67 -39.81 3 3 1 44 175.296 6

Activity (Go SEA)

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