UCSF

ZINC19607554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 28 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) 1.21 3.61 -10.68 0 7 0 62 384.48 6
Mid Mid (pH 6-8) 1.21 5.95 -40.17 1 7 1 63 385.488 6

Activity (Go SEA)

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