UCSF

ZINC06144033

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 33 No

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) 4.07 12.34 -39.84 0 7 -1 100 459.503 8
Mid Mid (pH 6-8) 3.48 0.7 -21.81 0 7 0 93 460.511 8
Mid Mid (pH 6-8) 4.51 0.43 -30.46 1 7 0 96 460.511 7

Activity (Go SEA)

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