UCSF

ZINC20219508

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 36 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) 2.51 7.91 -59.45 0 9 -1 99 489.552 8
Mid Mid (pH 6-8) 2.51 10.26 -70.7 1 9 0 101 490.56 8
Lo Low (pH 4.5-6) 2.51 9.44 -56.11 2 9 1 98 491.568 8

Activity (Go SEA)

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