UCSF

ZINC22056501

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 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) -1.45 4.3 -107.48 4 7 0 111 335.335 6
Hi High (pH 8-9.5) -1.45 3.91 -67.53 3 7 -1 109 334.327 6

Activity (Go SEA)

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