UCSF

ZINC08035247

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 35 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) 3.64 11.91 -127.39 3 6 2 58 482.665 7
Hi High (pH 8-9.5) 3.64 8.5 -11.48 1 6 0 52 480.649 7
Mid Mid (pH 6-8) 3.64 10.66 -51.92 2 6 1 53 481.657 7

Activity (Go SEA)

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