UCSF

ZINC00907525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 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) 4.60 -3.23 -13.26 2 5 0 74 385.514 4
Hi High (pH 8-9.5) 5.06 6.86 -49.39 1 5 -1 78 384.506 4

Activity (Go SEA)

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