UCSF

ZINC06181509

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 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) 2.81 7.63 -23.26 3 8 0 117 491.569 9
Mid Mid (pH 6-8) 4.11 7.48 -59.37 2 8 -1 120 490.561 9
Mid Mid (pH 6-8) 2.81 7.68 -57.11 2 8 -1 119 490.561 9

Activity (Go SEA)

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