UCSF

ZINC05687267

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 23 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) 2.40 6.89 -53.74 2 5 -1 85 307.329 2
Mid Mid (pH 6-8) 3.25 5.53 -11.76 3 5 0 87 308.337 2
Lo Low (pH 4.5-6) 1.50 6.1 -10.93 3 5 0 82 308.337 2

Activity (Go SEA)

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