UCSF

ZINC70840742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2011 13 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) 1.74 4.12 -38.36 2 2 1 25 243.124 2
Hi High (pH 8-9.5) 1.74 0.93 -6.12 1 2 0 23 242.116 2

Activity (Go SEA)

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