UCSF

ZINC01829837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 24 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) 4.54 12.68 -11 0 4 0 43 361.207 2
Mid Mid (pH 6-8) 4.55 14.2 -50.07 2 4 1 47 362.215 2
Mid Mid (pH 6-8) 4.55 13.01 -38.74 1 4 1 45 362.215 2

Activity (Go SEA)

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