UCSF

ZINC36984398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 1.98 7.11 -89.3 3 3 2 24 255.45 5
Mid Mid (pH 6-8) 1.98 6.53 -108.3 3 3 2 24 255.45 5
Mid Mid (pH 6-8) 1.98 4.75 -32.9 2 3 1 23 254.442 5

Activity (Go SEA)

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