UCSF

ZINC36105779

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 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) 0.22 -3.55 -56.63 2 9 -1 123 383.45 8
Mid Mid (pH 6-8) 0.22 -1.29 -78.45 3 9 0 124 384.458 8

Activity (Go SEA)

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