UCSF

ZINC36780029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 4.97 11.22 -51.18 0 4 -1 58 340.573 2
Lo Low (pH 4.5-6) 4.97 11.7 -56.97 1 4 0 59 341.581 2

Activity (Go SEA)

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