UCSF

ZINC44773600

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 21 No

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) 1.84 4.27 -4.07 2 4 0 50 311.495 4
Mid Mid (pH 6-8) 1.84 6.48 -41.3 3 4 1 51 312.503 4

Activity (Go SEA)

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