UCSF

ZINC12688410

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.35 7.78 -13.93 1 5 0 58 304.353 2
Lo Low (pH 4.5-6) 3.03 4.91 -26.08 2 5 1 63 305.361 2
Lo Low (pH 4.5-6) 3.03 4.91 -27.97 2 5 1 63 305.361 2
Lo Low (pH 4.5-6) 3.35 8.1 -32.22 2 5 1 59 305.361 2
Lo Low (pH 4.5-6) 3.35 8.11 -31.81 2 5 1 59 305.361 2

Activity (Go SEA)

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