UCSF

ZINC09086131

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 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) 4.45 10.61 -63.53 0 6 -1 79 436.528 9
Mid Mid (pH 6-8) 3.87 10.4 -19.87 0 6 0 73 437.536 9
Mid Mid (pH 6-8) 4.89 9.4 -24.83 1 6 0 76 437.536 8

Activity (Go SEA)

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