UCSF

ZINC36125590

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.19 3.8 -8.12 0 4 0 41 262.419 5
Mid Mid (pH 6-8) 2.19 5.33 -46.22 1 4 1 42 263.427 5

Activity (Go SEA)

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