UCSF

ZINC36782815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 1.53 5.1 -45.65 3 3 1 44 206.313 4
Hi High (pH 8-9.5) 1.53 4.7 -4.12 2 3 0 42 205.305 4
Mid Mid (pH 6-8) 1.53 5.53 -100.84 4 3 2 45 207.321 4

Activity (Go SEA)

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