UCSF

ZINC36672749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 4.19 8.83 -40.93 2 2 1 26 268.38 3
Hi High (pH 8-9.5) 4.19 7.67 -4.56 1 2 0 21 267.372 3

Activity (Go SEA)

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