UCSF

ZINC36780037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 3.66 10.28 -54.13 0 4 -1 58 316.134 2
Lo Low (pH 4.5-6) 3.66 10.75 -58.91 1 4 0 59 317.142 2

Activity (Go SEA)

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