UCSF

ZINC03569697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 28 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) 3.99 7.36 -15.12 2 5 0 75 398.459 6
Mid Mid (pH 6-8) 4.06 5.04 -38.93 1 5 -1 81 397.451 6
Mid Mid (pH 6-8) 3.99 7.49 -50.25 1 5 -1 77 397.451 6
Lo Low (pH 4.5-6) 4.06 6.09 -44.06 3 5 1 80 399.467 6

Activity (Go SEA)

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