UCSF

ZINC42771938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 3.23 7.07 -51.32 0 4 -1 53 302.272 8
Lo Low (pH 4.5-6) 3.23 9.15 -75.44 1 4 0 54 303.28 8

Activity (Go SEA)

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