UCSF

ZINC36743199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.59 2.22 -36.4 2 5 -1 87 406.079 3
Mid Mid (pH 6-8) 2.59 2.46 -7.75 3 5 0 85 407.087 3
Lo Low (pH 4.5-6) 2.59 2.68 -39.85 3 5 0 88 407.087 3

Activity (Go SEA)

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