UCSF

ZINC34948799

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 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) 3.21 10.07 -39.16 3 4 1 58 304.389 4
Hi High (pH 8-9.5) 3.21 10.1 -5.3 2 4 0 56 303.381 4

Activity (Go SEA)

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