UCSF

ZINC37080752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.12 4.46 -104.67 4 5 2 60 282.384 7
Mid Mid (pH 6-8) 1.12 2.56 -38.18 3 5 1 59 281.376 7
Mid Mid (pH 6-8) 1.12 4.22 -24.86 3 5 1 58 281.376 7

Activity (Go SEA)

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