UCSF

ZINC62115123

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 19 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) -0.97 -0.99 -57.18 4 7 1 95 267.309 1
Hi High (pH 8-9.5) -0.79 -3.63 -77.12 3 7 0 101 266.301 1

Activity (Go SEA)

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