UCSF

ZINC62952800

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.76 5.45 -49.8 2 4 1 40 254.398 2
Mid Mid (pH 6-8) 1.76 4.12 -8.22 1 4 0 36 253.39 2

Activity (Go SEA)

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