UCSF

ZINC36989940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 2.78 1.79 -9.35 3 4 0 65 266.3 3
Lo Low (pH 4.5-6) 2.78 2.22 -33.34 4 4 1 67 267.308 3

Activity (Go SEA)

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