UCSF

ZINC19953947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) 1.27 4.36 -107.1 3 4 2 34 257.422 6
Mid Mid (pH 6-8) 1.27 5.36 -85.4 3 4 2 30 257.422 6
Mid Mid (pH 6-8) 1.27 2.13 -40.86 2 4 1 32 256.414 6

Activity (Go SEA)

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