UCSF

ZINC01146330

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 33 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) 3.99 6.32 -59.91 2 9 -1 124 462.511 7
Mid Mid (pH 6-8) 3.99 6.88 -20.72 3 9 0 122 463.519 7
Mid Mid (pH 6-8) 4.51 3.7 -20.83 3 9 0 126 463.519 7

Activity (Go SEA)

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