UCSF

ZINC49237592

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 17 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) 1.11 3.23 -34.49 3 5 1 63 242.343 6
Hi High (pH 8-9.5) 1.11 1.01 -8 2 5 0 61 241.335 6

Activity (Go SEA)

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