UCSF

ZINC36147111

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 No

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) 2.75 7.19 -48.52 2 6 1 59 428.528 9
Mid Mid (pH 6-8) 2.75 6.95 -48.08 2 6 1 59 428.528 9
Mid Mid (pH 6-8) 2.75 4.9 -10.8 1 6 0 58 427.52 9

Activity (Go SEA)

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