UCSF

ZINC34689298

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 20 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) 1.87 1.75 -40.53 3 5 1 58 282.408 4
Hi High (pH 8-9.5) 1.87 0.59 -9.97 2 5 0 54 281.4 4
Mid Mid (pH 6-8) 1.87 4.02 -94.75 4 5 2 59 283.416 4

Activity (Go SEA)

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