UCSF

ZINC44260658

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) -1.29 1.12 -46.46 0 7 -1 94 302.307 4
Mid Mid (pH 6-8) -1.29 3.25 -39.97 1 7 0 95 303.315 4

Activity (Go SEA)

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