UCSF

ZINC37108251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 3.21 6.01 -41.76 3 2 1 31 215.405 9
Mid Mid (pH 6-8) 3.21 7.2 -28.97 3 2 1 30 215.405 9
Mid Mid (pH 6-8) 3.21 7.42 -116.64 4 2 2 32 216.413 9

Activity (Go SEA)

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