UCSF

ZINC62967800

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 3.40 8.22 -31.77 1 2 1 8 312.275 5
Hi High (pH 8-9.5) 3.40 5.86 -2.25 0 2 0 6 311.267 5
Mid Mid (pH 6-8) 3.40 7.96 -31.06 1 2 1 8 312.275 5
Lo Low (pH 4.5-6) 3.40 10.36 -100.93 2 2 2 9 313.283 5

Activity (Go SEA)

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