UCSF

ZINC36889306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 Yes

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) 2.24 4.13 -56.53 1 6 -1 82 311.745 4
Lo Low (pH 4.5-6) 2.24 6.35 -70.41 2 6 0 83 312.753 4

Activity (Go SEA)

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