UCSF

ZINC36634095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 No

Download: MOL2 SDF SMILES Flexibase

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) 0.91 1.83 -12.81 1 6 0 64 372.252 4
Mid Mid (pH 6-8) 0.91 4.16 -41.55 2 6 1 65 373.26 4
Mid Mid (pH 6-8) 0.91 4.29 -43.65 2 6 1 65 373.26 4

Activity (Go SEA)

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