UCSF

ZINC34351254

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 10 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) -1.51 -2.88 -46.95 4 4 1 58 144.198 1
Mid Mid (pH 6-8) -1.51 -4.24 -7.81 3 4 0 53 143.19 1

Activity (Go SEA)

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