UCSF

ZINC36301456

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 15 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) 0.40 3.08 -40.67 2 3 1 33 206.313 3
Mid Mid (pH 6-8) 0.40 3.14 -80.96 3 3 2 34 207.321 3
Mid Mid (pH 6-8) 0.40 4.25 -32.33 2 3 1 29 206.313 3

Activity (Go SEA)

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