UCSF

ZINC39952617

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 2.07 5.47 -45.13 2 4 1 46 263.361 5
Mid Mid (pH 6-8) 2.07 7.58 -127.18 3 4 2 47 264.369 5
Lo Low (pH 4.5-6) 2.07 6.24 -40.22 2 4 1 43 263.361 5

Activity (Go SEA)

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