UCSF

ZINC36101579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.20 1.54 -19.27 1 7 0 93 362.473 7
Hi High (pH 8-9.5) 2.20 3.27 -56.04 0 7 -1 95 361.465 7

Activity (Go SEA)

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