UCSF

ZINC40150326

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 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) 2.10 4.95 -92.77 2 10 0 119 492.458 8
Mid Mid (pH 6-8) 2.10 2.68 -57.15 1 10 -1 117 491.45 8
Lo Low (pH 4.5-6) 1.64 6.88 -69.17 3 10 1 116 493.466 8

Activity (Go SEA)

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