UCSF

ZINC37011993

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.35 6.12 -42.35 3 5 1 62 275.376 3
Hi High (pH 8-9.5) 1.35 4.81 -9.73 2 5 0 57 274.368 3
Mid Mid (pH 6-8) 1.35 6.46 -82.09 4 5 2 63 276.384 3

Activity (Go SEA)

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