UCSF

ZINC36999901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 3.46 8.46 -32.84 2 2 1 16 312.275 4
Mid Mid (pH 6-8) 3.46 7.07 -39.48 2 2 1 20 312.275 4
Lo Low (pH 4.5-6) 3.46 9.46 -102.45 3 2 2 21 313.283 4

Activity (Go SEA)

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