UCSF

ZINC06920296

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 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) 1.02 2.28 -39.37 2 7 -1 114 348.335 3
Mid Mid (pH 6-8) 1.88 2.58 -49.43 2 7 1 111 348.335 3
Mid Mid (pH 6-8) 1.02 1.85 -17.4 3 7 0 112 349.343 3

Activity (Go SEA)

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