UCSF

ZINC08764131

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 16 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) 3.73 -2.22 -5.94 2 3 0 48 255.104 2
Mid Mid (pH 6-8) 3.73 -1.63 -28.73 3 3 1 49 256.112 2

Activity (Go SEA)

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