UCSF

ZINC13734473

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 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) 3.40 9.64 -32.17 2 3 1 20 292.491 11
Mid Mid (pH 6-8) 3.40 9.71 -61.31 3 3 0 21 293.499 11
Lo Low (pH 4.5-6) 3.40 11.1 -25.14 4 3 0 25 294.507 11

Activity (Go SEA)

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