UCSF

ZINC37141867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 3.36 6.59 -37.52 2 2 1 20 291.381 3
Mid Mid (pH 6-8) 3.36 9.14 -31.74 2 2 1 16 291.381 3
Lo Low (pH 4.5-6) 3.36 8.95 -104.81 3 2 2 21 292.389 3

Activity (Go SEA)

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