UCSF

ZINC44722789

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 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) 0.99 4.44 -29.2 2 3 1 26 211.329 4
Hi High (pH 8-9.5) 0.99 1.99 -2.55 1 3 0 24 210.321 4
Lo Low (pH 4.5-6) 0.99 5.65 -104.33 3 3 2 30 212.337 4

Activity (Go SEA)

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