UCSF

ZINC34668979

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 2.29 7.07 -49.72 2 6 1 59 429.61 8
Mid Mid (pH 6-8) 2.29 4.83 -9.83 1 6 0 58 428.602 8
Mid Mid (pH 6-8) 2.29 9.34 -98.01 3 6 2 60 430.618 8

Activity (Go SEA)

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