UCSF

ZINC37019884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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 5.13 -49.18 1 5 -1 86 389.169 7
Mid Mid (pH 6-8) 2.59 5.17 -90.64 0 5 -2 88 388.161 7
Lo Low (pH 4.5-6) 2.59 3.2 -39.09 1 5 -1 86 389.169 7

Activity (Go SEA)

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