UCSF

ZINC11782227

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 35 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) 3.53 -4.82 -20.81 2 8 0 114 491.569 8
Hi High (pH 8-9.5) 3.53 -4.24 -56.08 1 8 -1 117 490.561 8

Activity (Go SEA)

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