UCSF

ZINC35018185

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.43 7.06 -33.85 2 5 1 50 311.475 7
Hi High (pH 8-9.5) 1.43 5.22 -14.1 1 5 0 48 310.467 7
Mid Mid (pH 6-8) 1.43 6.56 -40.59 2 5 1 53 311.475 7
Mid Mid (pH 6-8) 1.43 8.4 -108.2 3 5 2 54 312.483 7

Activity (Go SEA)

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