UCSF

ZINC37082217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.30 9.46 -32.09 3 2 1 30 283.439 6
Mid Mid (pH 6-8) 2.30 9.85 -127.57 4 2 2 32 284.447 6
Mid Mid (pH 6-8) 2.30 8.28 -42.64 3 2 1 31 283.439 6

Activity (Go SEA)

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