UCSF

ZINC08653680

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2007 23 No

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) -2.60 10.3 -53.59 0 4 1 43 306.389 2
Lo Low (pH 4.5-6) -2.60 10.58 -88.16 1 4 2 44 307.397 2
Lo Low (pH 4.5-6) -2.60 10.85 -158.99 2 4 3 45 308.405 2

Activity (Go SEA)

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