UCSF

ZINC34677697

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 1.67 5.1 -50.97 2 9 1 87 490.6 9
Mid Mid (pH 6-8) 1.67 2.83 -11.81 1 9 0 86 489.592 9

Activity (Go SEA)

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