UCSF

ZINC01427079

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 21 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) 2.40 -5.43 -11.81 2 6 0 84 303.343 4
Hi High (pH 8-9.5) 2.40 -4.85 -42.03 1 6 -1 86 302.335 4

Activity (Go SEA)

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