UCSF

ZINC32102153

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 16 No

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) -0.31 -0.78 -70.21 3 5 1 84 246.308 4
Hi High (pH 8-9.5) -0.31 -2.16 -17.18 2 5 0 80 245.3 4

Activity (Go SEA)

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