UCSF

ZINC55133103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 31 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) 2.42 6.61 -46.14 2 7 1 65 431.553 8
Hi High (pH 8-9.5) 2.42 4.73 -10.18 1 7 0 64 430.545 8

Activity (Go SEA)

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