UCSF

ZINC44610112

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) -1.08 2.84 -126.14 4 8 2 91 264.337 4
Hi High (pH 8-9.5) -1.08 0.25 -8.5 2 8 0 88 262.321 4
Mid Mid (pH 6-8) -1.08 0.62 -53.63 3 8 1 90 263.329 4

Activity (Go SEA)

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