UCSF

ZINC44651568

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) 2.29 4.56 -45.47 3 4 1 59 242.368 5
Hi High (pH 8-9.5) 2.85 2.26 -7.67 2 4 0 57 241.36 4
Mid Mid (pH 6-8) 2.11 3.3 -36.76 2 4 0 65 241.36 5

Activity (Go SEA)

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