UCSF

ZINC44675303

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 1.28 4.83 -48.73 2 5 0 76 224.26 7
Mid Mid (pH 6-8) 1.28 4.36 -47.94 1 5 -1 74 223.252 7

Activity (Go SEA)

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