UCSF

ZINC11847607

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 34 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) 4.97 10.78 -21.96 2 8 0 111 491.968 8
Mid Mid (pH 6-8) 4.92 0.64 -10.84 1 8 0 112 491.968 8
Mid Mid (pH 6-8) 4.97 11.58 -65.87 1 8 -1 114 490.96 8

Activity (Go SEA)

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