UCSF

ZINC13990070

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 23 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) 2.48 8.04 -7.47 0 3 0 29 303.409 7
Mid Mid (pH 6-8) 2.48 8.42 -37.98 1 3 1 30 304.417 7
Lo Low (pH 4.5-6) 2.48 10.53 -106.28 2 3 2 31 305.425 7
Lo Low (pH 4.5-6) 2.48 10.51 -118.63 2 3 2 31 305.425 7
Lo Low (pH 4.5-6) 2.48 10.79 -199.28 3 3 3 33 306.433 7
Lo Low (pH 4.5-6) 2.48 8.86 -88.52 2 3 2 32 305.425 7

Activity (Go SEA)

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