UCSF

ZINC20523979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 17 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) 1.73 8.23 -80.49 3 3 2 21 241.423 4
Hi High (pH 8-9.5) 1.73 6.01 -28.09 2 3 1 20 240.415 4
Mid Mid (pH 6-8) 1.73 5.99 -102.71 3 3 2 24 241.423 4
Lo Low (pH 4.5-6) 1.73 8.37 -189.02 4 3 3 25 242.431 4

Activity (Go SEA)

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