UCSF

ZINC44900761

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 25 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) 2.80 4.13 -43.76 1 6 -1 87 381.861 7
Mid Mid (pH 6-8) 2.80 3.98 -15.09 2 6 0 85 382.869 7

Activity (Go SEA)

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