UCSF

ZINC34317488

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 12 No

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) 3.66 6.38 -2.44 0 1 0 9 182.288 4
Mid Mid (pH 6-8) 3.66 6.92 -42.97 0 1 -1 9 181.28 4

Activity (Go SEA)

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