UCSF

ZINC43982596

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.06 4.41 -4.32 1 3 0 24 302.34 8
Mid Mid (pH 6-8) 3.06 7.04 -37.73 2 3 1 26 303.348 8
Lo Low (pH 4.5-6) 3.06 8.19 -126.18 3 3 2 30 304.356 8

Activity (Go SEA)

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