UCSF

ZINC36109886

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 0.98 4.12 -10.16 1 6 0 56 304.394 3
Mid Mid (pH 6-8) 0.98 6.48 -46.36 2 6 1 57 305.402 3

Activity (Go SEA)

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