UCSF

ZINC51919102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 20 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) 2.15 7.5 -78.19 3 3 2 24 281.488 4
Mid Mid (pH 6-8) 2.15 7.56 -94.29 3 3 2 24 281.488 4
Mid Mid (pH 6-8) 2.15 9.75 -170.44 4 3 3 25 282.496 4

Activity (Go SEA)

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