UCSF

ZINC12789084

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 28 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) 1.48 6.88 -25.26 2 6 0 84 380.492 8
Lo Low (pH 4.5-6) 1.48 7.25 -53.58 3 6 1 85 381.5 8
Lo Low (pH 4.5-6) 1.48 7.63 -89.97 4 6 2 86 382.508 8

Activity (Go SEA)

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