UCSF

ZINC61822632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 2.57 8 -33.01 3 2 1 30 247.406 4
Mid Mid (pH 6-8) 2.57 8.36 -127.51 4 2 2 32 248.414 4

Activity (Go SEA)

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