UCSF

ZINC45973321

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 25 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) 1.18 4.85 -19.09 1 6 0 62 345.443 5
Mid Mid (pH 6-8) 1.18 7.12 -54.03 2 6 1 63 346.451 5

Activity (Go SEA)

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