UCSF

ZINC44651563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 2.13 4.56 -46.73 3 4 1 59 242.368 6
Hi High (pH 8-9.5) 2.69 2.6 -8.03 2 4 0 57 241.36 5
Mid Mid (pH 6-8) 1.95 3.31 -36.91 2 4 0 65 241.36 6

Activity (Go SEA)

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