UCSF

ZINC36776809

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) -1.11 4.38 -10.68 2 4 0 59 255.321 4
Mid Mid (pH 6-8) -1.11 4.71 -47.49 3 4 1 61 256.329 4
Lo Low (pH 4.5-6) -1.11 5.16 -89.09 4 4 2 62 257.337 4

Activity (Go SEA)

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