UCSF

ZINC34937986

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 3.88 7.79 -41.97 3 2 1 37 268.38 3
Hi High (pH 8-9.5) 3.88 6.64 -4.27 2 2 0 32 267.372 3

Activity (Go SEA)

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